SCHEMBL45645

SCHEMBL45645

c1ccc(PCCPc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CA12 O43570 1/20 0.37
GLA P06280 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA7 P43166 1/20 0.37
CALM1 P0DP23 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TSHR P16473 5/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
TRPA1 O75762 1/20 0.32
KEAP1 Q14145 1/20 0.31
ALOX12 P18054 2/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11796269 0.97 CA1 (0.35) CA1CA2CA9TDP1CA12
Bromide SCHEMBL10527789 0.94 CA1 (0.33) CA1CA2CA9TDP1CA12
Hydrochloric Acid SCHEMBL11804962 0.94 CA1 (0.33) CA1CA2CA9TDP1CA12
Hydrochloric Acid SCHEMBL5114504 0.94 CA1 (0.33) CA1CA2CA9TDP1CA12
Hydrochloric Acid SCHEMBL22129660 0.94 CA1 (0.33) CA1CA2CA9TDP1CA12
Hydrochloric Acid SCHEMBL7588877 0.94 CA1 (0.33) CA1CA2CA9TDP1CA12
SCHEMBL22129661 0.89 CA1 (0.30) CA1CA2CA9TDP1CA12
SCHEMBL10489315 0.89 CA1 (0.30) CA1CA2CA9TDP1CA12
SCHEMBL10527793 0.89 ALDH1A1 (0.32) CA1CA2CA9TDP1CA12
SCHEMBL197099 0.88 CA1 (0.33) CA1CA2CA9TDP1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 291 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462342-B Method for effectively improving purity of linalool product 万华化学集团股份有限公司 2026-05-19 CN claimed
CN-119462342-A Method for effectively improving purity of linalool product 万华化学集团股份有限公司 2025-02-18 CN claimed
US-8648000-B2 Diene polymerisation INEOS COMMERCIAL SERVICES UK LIMITED (GB) 2014-02-11 US claimed
US-8617707-B2 Magic size nanoclusters and methods of preparing same UNIVERSITY OF ROCHESTER (US) 2013-12-31 US claimed
WO-2013166348-A2 SURFACE MODIFICATION OF PIGMENTS AND COMPOSITIONS COMPRISING THE SAME CABOT CORPORATION (US) 2013-11-07 WO claimed
US-8288130-B2 Polypeptide cleavage process MEDTRONIC, INC. (US) 2012-10-16 US claimed
WO-2012035546-A3 A TAMPER EVIDENT MULTIPLE METALLIZED AND DEMETALLIZED SECURITY DEVICE AND PROCESS FOR PREPARING THE SAME KAPOOR AJAY (IN) 2012-05-10 WO claimed
EP-1532142-B1 POLYPEPTIDE CLEAVAGE PROCESS MEDTRONIC INC (US) 2012-03-21 EP claimed
EP-1918312-B1 Diene polymerisation INEOS COMMERCIAL SERVICES UK (GB) 2011-12-07 EP claimed
US-20110052918-A1 Magic Size Nanoclusters and Methods of Preparing Same UNIVERSITY OF ROCHESTER 2011-03-03 US claimed
EP-1532142-A2 POLYPEPTIDE CLEAVAGE PROCESS Restoragen, Inc. (US) 2005-05-25 EP claimed
WO-2004011599-A2 POLYPEPTIDE CLEAVAGE PROCESS RESTORAGEN, INC. (US) 2004-02-05 WO claimed
WO-2003100015-A2 POLYPEPTIDE CLEAVAGE PROCESS RESTORAGEN, INC. (US) 2003-12-04 WO claimed
WO-2003010179-A1 PROCESS FOR THE PREPARATION OF 2'-3'-DIDEOXY-2',3'-DIDEHYDRO-NUCLEOSIDES EMORY UNIVERSITY (US) 2003-02-06 WO claimed
EP-0851864-B1 NOVEL COUPLING AGENTS, PROCESSES FOR THEIR PREPARATION AND HAIR DYES SCHWARZKOPF GMBH HANS (DE) 2001-05-23 EP claimed
US-5676706-A HYDROGEN PEROXIDE-FREE HAIR COLORS; COLORFASTNESS HANS SCHWARZKOPF GMBH & CO. KG. (DE) 1997-10-14 US claimed
US-5672750-A Preparation of aromatic amides from carbon monoxide, an amine and an aromatic chloride EASTMAN CHEMICAL COMPANY (US) 1997-09-30 US claimed
EP-0709365-A1 Substituted 2,4-diaminophenols, process for their preparation and hair dyes containing them Hans Schwarzkopf GmbH (DE) 1996-05-01 EP claimed
EP-0313692-B1 PROCESS FOR SYNTHESIS OF GLUMATIC ACID FROM ACRYLATE, AMIDE AND SYNTHESIS GAS TEXACO DEVELOPMENT CORPORATION (US) 1992-03-25 EP claimed
US-4879070-A HYDROGEN, CARBON DIOXIDE, TERTIARY AMINE, RHODIUM-ORGANOPHOSPHORUS CATALYST BP CHEMICALS LIMITED (GB) 1989-11-07 US claimed